TPDB

3D PDB MODEL

Drag to rotate. Click a residue or atom to inspect it; the selected residue is highlighted in amber.

TPDB ID TPDB47657

Peptide_Name

ACE inhibitor

Activity

ACE inhibitors Antihypertensive

Activity_category_statistics

Cardiometabolic peptides

Database_Source

Peptipedia AHTPDB

Sequence_Type

standard

Has_Modification No

Description A 3-aa standard natural multi-activity (ACE inhibitors and Antihypertensive) peptide sequence curated from Peptipedia and AHTPDB, with an available 3D structural model.

Sequence

VLY

FASTA

>TPDB47657|ACE inhibitors;Antihypertensive|length=3
VLY

Formula C20H31N3O5

Absent Amino Acids ARNDCEQGHIKMFPSTW

Common Amino Acids LYV

Mass 393.48

PI 5.94

Basic Residues 0

Acidic Residues 0

Hydrophobic Residues 3

Net Charge -0

Boman Index -1.43

Hydrophobicity 2.233

Aliphatic Index 226.67

Half Life

Mammalian: 100 hour Yeast: >20 hour E.coli: >10 hour

Extinction Coefficient Cystines 1490

Absorbance 280nm 378.67

Polar Residues 1

number

0

A

0

R

0

N

0

D

0

C

0

E

0

Q

0

G

0

H

0

I

1

L

0

K

0

M

0

F

0

P

0

S

0

T

0

W

1

Y

1

V

Amino Acid Distribution

A: 0 R: 0 N: 0 D: 0 C: 0 E: 0 Q: 0 G: 0 H: 0 I: 0 L: 1 K: 0 M: 0 F: 0 P: 0 S: 0 T: 0 W: 0 Y: 1 V: 1

Length

3

Formula

C20H31N3O5

Mass

393.48

PI

5.94

Net Charge

-0

Boman Index

-1.43

Hydrophobicity

2.233

Chemical_Mass

393.4760

Monoisotopic_Mass

393.2256

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity ACE inhibitors

Activity Measurement 30.90 µM

Function Inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: M02-001)

Detail Activity ACE inhibitor

Activity Code ah

Source & Reference

Database Source NA

Authors Wu J., Aluko R. E., Nakai S.

Title

Structural requirements of angiotensin I-converting enzyme inhibitory activity: quantitative structure-activity relationship study of di- and tripeptides. J. Agric. Food Chem., 54, 732-738, 2006

Year 2006

Literature Source Journal

Other

Number of Residues 3

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: N[C@@]([H])(C(C)C)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(Cc1ccc(O)cc1)C(=O)O InChI=1S/C20H31N3O5/c1-11(2)9-15(22-19(26)17(21)12(3)4)18(25)23-16(20(27)28)10-13-5-7-14(24)8-6-13/h5-8,11-12,15-17,24H,9-10,21H2,1-4H3,(H,22,26)(H,23,25)(H,27,28)/t15-,16-,17-/m0/s1 InChIKey: WDIWOIRFNMLNKO-ULQDDVLXSA-N Information concerning Angiotensin-Converting Enzyme (ACE) is available in MEROPS database of proteolytic enzymes (http://merops.sanger.ac.uk/) ID: M02-001

Evidence 2 Activity

Activity

Activity Endpoint IC50

Detail Source Activity Antihypertensive

Activity Measurement 30.90 µM

Function Inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: M02-001)

Detail Activity ACE inhibitor

Activity Code ah

Source & Reference

Database Source AHTPDB

Authors Wu J., Aluko R. E., Nakai S.

Title

Structural requirements of angiotensin I-converting enzyme inhibitory activity: quantitative structure-activity relationship study of di- and tripeptides. J. Agric. Food Chem., 54, 732-738, 2006

Year 2006

Literature Source Journal

Other

Source Activity Label	Source Definition
Antihypertensive	AHTPDB manually curated experimentally validated antihypertensive peptide annotation.

Number of Residues 3

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: N[C@@]([H])(C(C)C)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(Cc1ccc(O)cc1)C(=O)O InChI=1S/C20H31N3O5/c1-11(2)9-15(22-19(26)17(21)12(3)4)18(25)23-16(20(27)28)10-13-5-7-14(24)8-6-13/h5-8,11-12,15-17,24H,9-10,21H2,1-4H3,(H,22,26)(H,23,25)(H,27,28)/t15-,16-,17-/m0/s1 InChIKey: WDIWOIRFNMLNKO-ULQDDVLXSA-N Information concerning Angiotensin-Converting Enzyme (ACE) is available in MEROPS database of proteolytic enzymes (http://merops.sanger.ac.uk/) ID: M02-001

Number_of_Residues

3